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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03794190

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.84
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.77
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.73
BOA2-BROMO-6-HYDROXY-PURINEA1M670.72
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.74
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.77
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.8
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.84
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.84
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
6AP9H-PURINE-2,6-DIAMINEA2B570.9
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.83
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.88
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.77
6MP6-METHYLPURINEA,B,C1OU40.86
6MP6-METHYLPURINEA,B,C1OTY0.86
6MP6-METHYLPURINEA2PUA0.86
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
PM69H-purine-6-thiolA,B3BGD0.81
6GU6-chloroguanineA3FO40.96
6GU6-chloroguanineA3GOG0.96
6GU6-chloroguanineA3GER0.96
M1A6-AMINO-1-METHYLPURINEA1B420.88
A2F2-fluoroadenineA3GOT0.88
A2F2-fluoroadenineA,B,C3GB90.88
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.83
2BP9H-purin-2-amineA3G4M0.84
BCP2-BROMO-6-CHLORO-PURINEA1M660.93
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.93
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.94
301N6-(penta-2,3-dienyl)adenineA3BW70.82
ADEADENINEA1WEI0.9
ADEADENINEA2QLU0.9
ADEADENINEA,B2H8G0.9
ADEADENINEA,B1HQC0.9
ADEADENINEA1AHA0.9
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.9
ADEADENINEA,B,D1YXM0.9
ADEADENINEA1CB00.9
ADEADENINEA,B2QTT0.9
ADEADENINEA,B,C1XE80.9
ADEADENINEA,B1M2T0.9
ADEADENINEA2P8N0.9
ADEADENINEA,B,C2PQJ0.9
ADEADENINEA,B,C1VRL0.9
ADEADENINEA,B3BSF0.9
ADEADENINEX1Y260.9
ADEADENINEA,B1ZN70.9
ADEADENINEA,B1Z5N0.9
ADEADENINEA1QB70.9
ADEADENINEA1LU10.9
ADEADENINEA,B1Q8Y0.9
ADEADENINEA2QES0.9
ADEADENINEA2PUB0.9
ADEADENINEA1Z8D0.9
ADEADENINEA1JH80.9
ADEADENINEA1QD20.9
ADEADENINEA2ICS0.9
ADEADENINEA1IFS0.9
ADEADENINEA1NLI0.9
ADEADENINEA,B1D2A0.9
ADEADENINEA1GIU0.9
ADEADENINEA1J1R0.9
ADEADENINEA2QET0.9
ADEADENINEA,B,C1OD40.9
ADEADENINEA,B1QCI0.9
ADEADENINEA,B,C,D,E,F2GA40.9
ADEADENINEA,B1JYS0.9
ADEADENINEA1LPD0.9
ADEADENINEA,B1OD20.9
ADEADENINEA1WTA0.9
ADEADENINEA,B,C1S2D0.9
ADEADENINEA1MUD0.9
ADEADENINEA2PUE0.9